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Mdai 2pe

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

Mdai 2pe
SpectraBase Compound ID 9y5q4KnM9OX
InChI InChI=1S/C20H31NO2/c1-3-5-7-9-21(10-8-6-4-2)18-11-16-13-19-20(23-15-22-19)14-17(16)12-18/h13-14,18H,3-12,15H2,1-2H3
InChIKey WYWSIKYFLIZFSE-UHFFFAOYSA-N
Mol Weight 317.47 g/mol
Molecular Formula C20H31NO2
Exact Mass 317.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LI8hwLsHaal
Name Mdai 2pe
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.235479240 u
Formula C20H31NO2
InChI InChI=1S/C20H31NO2/c1-3-5-7-9-21(10-8-6-4-2)18-11-16-13-19-20(23-15-22-19)14-17(16)12-18/h13-14,18H,3-12,15H2,1-2H3
InChIKey WYWSIKYFLIZFSE-UHFFFAOYSA-N
Molecular Weight 317.473 g/mol
SMILES C=12C(CC(N(CCCCC)CCCCC)C2)=CC2=C(C1)OCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894266